2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid

C14H27N3O4 — CID 122000048

IUPAC2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NCCC(C)OC)C1
InChIInChI=1S/C14H27N3O4/c1-4-17(9-13(18)19)12-7-11(8-12)16-14(20)15-6-5-10(2)21-3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyYVRCQYOGUFKTJX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.65
Rot. Bonds9

About 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid

2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid (PubChem CID 122000048) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
PubChem CID122000048
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NCCC(C)OC)C1
InChIInChI=1S/C14H27N3O4/c1-4-17(9-13(18)19)12-7-11(8-12)16-14(20)15-6-5-10(2)21-3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyYVRCQYOGUFKTJX-UHFFFAOYSA-N
XLogP0.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-[(4,4,4-trifluoro-3-methoxybutyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122011326
2-[ethyl-[3-(3,5,5-trimethylhexylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122011167
2-[ethyl-[3-(2-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122014845
2-[ethyl-[3-[2-(2-methylpropylsulfanyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122007958
2-[ethyl-[3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122016603
2-[ethyl-[3-(thian-4-ylmethylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002068
2-[[3-[2-(4-chlorophenoxy)propylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122004329
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[ethyl-[3-[2-(4-methylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122002549
2-[[3-[(2,2-dimethylcyclopropyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001969

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid (CID 122000048) is 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NCCC(C)OC)C1.
What is the InChIKey of 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid?
The InChIKey is YVRCQYOGUFKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-17(9-13(18)19)12-7-11(8-12)16-14(20)15-6-5-10(2)21-3/h10-12H,4-9H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid?
2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122000048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).